3-methyl-2-pentanol

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:565-60-6

mdl number:mfcd00004528

einecs number:209-281-6

rtecs number:none

brn number:none

pubchem number:24847012

physical property data

1. physical property data

1. density: 0.831 g/ml at 25 °c (lit.

2. refractive index: n20 /d 1.548(lit.)

3. flash point (ºc): 105 °f

4. boiling point (ºc): 134.2

5. relative density (20℃, 4℃): 0.8291

6. refractive index at room temperature (n²⁰): 1.4197

7. relative density (25℃, 4℃): 0.8248

8. normal temperature refractive index (n²⁵): 1.4179

toxicological data

none

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 31.29

2. molar volume (cm³/mol): 125.8

3. isotonic specific volume (90.2k): 282.3

4. surface tension (dyne/cm): 25.3

5. polarizability (10^-24cm³): 12.40

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 1.7

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 2

5. number of tautomers: none

6. topological molecule polar surface area 20.2

7. number of heavy atoms: 7

8. surface charge: 0

9. complexity: 43.4

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 2

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none

storage method

none

synthesis method

none

purpose

none